1,1,1,2-tetrafluoro-2-(trifluoromethyl)butane

C5H5F7 — CID 12025747

IUPAC1,1,1,2-tetrafluoro-2-(trifluoromethyl)butane
SMILESCCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H5F7/c1-2-3(6,4(7,8)9)5(10,11)12/h2H2,1H3
InChIKeyWUPWHEIPIJRQBZ-UHFFFAOYSA-N
MW198.08 g/mol
LogP3.23
Rot. Bonds1

About 1,1,1,2-tetrafluoro-2-(trifluoromethyl)butane

1,1,1,2-tetrafluoro-2-(trifluoromethyl)butane (PubChem CID 12025747) has the molecular formula C5H5F7 and a molecular weight of 198.08 g/mol. Its IUPAC name is 1,1,1,2-tetrafluoro-2-(trifluoromethyl)butane.

Molecular Properties

Compound Name1,1,1,2-tetrafluoro-2-(trifluoromethyl)butane
PubChem CID12025747
Molecular FormulaC5H5F7
Molecular Weight198.08 g/mol
Exact Mass198.03
IUPAC Name1,1,1,2-tetrafluoro-2-(trifluoromethyl)butane
SMILESCCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H5F7/c1-2-3(6,4(7,8)9)5(10,11)12/h2H2,1H3
InChIKeyWUPWHEIPIJRQBZ-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.08
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,1,3,3-Pentafluorobutane
CID 67884
1,1,1,2,2-Pentafluorobutane
CID 19980372
1,1,1,3,3,3-Hexafluoro-2-methylpropane
CID 2778258
1,1,1,2,3,3,3-Heptafluoro-2-methylpropane
CID 12025746
1,1,1,2,3,3-Hexafluorobutane
CID 15576966
1,1,1,2,2,3-Hexafluorobutane
CID 12980435
1,1,2,2-Tetrafluorobutane
CID 15215968
1,1,1,3,3,3-Hexafluoro-2,2-dimethylpropane
CID 15733905
1,1,2-Trifluoro-2-methylpropane
CID 19708468
CID 146166522
CID 146166522
2,2,3,3-Tetrafluorobutane
CID 10920537
1,1,1,2,3,3-Hexafluoro-2-methylpropane
CID 15576965

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2-tetrafluoro-2-(trifluoromethyl)butane?
The IUPAC name of 1,1,1,2-tetrafluoro-2-(trifluoromethyl)butane (CID 12025747) is 1,1,1,2-tetrafluoro-2-(trifluoromethyl)butane.
What is the SMILES notation for 1,1,1,2-tetrafluoro-2-(trifluoromethyl)butane?
The canonical SMILES for 1,1,1,2-tetrafluoro-2-(trifluoromethyl)butane is CCC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2-tetrafluoro-2-(trifluoromethyl)butane?
The InChIKey is WUPWHEIPIJRQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F7/c1-2-3(6,4(7,8)9)5(10,11)12/h2H2,1H3.
What are the key properties of 1,1,1,2-tetrafluoro-2-(trifluoromethyl)butane?
1,1,1,2-tetrafluoro-2-(trifluoromethyl)butane has a molecular weight of 198.08 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2-tetrafluoro-2-(trifluoromethyl)butane is sourced from PubChem (CID 12025747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).